SCHEMBL7630006

SCHEMBL7630006

C[C@@H](C=O)N(C(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
NOX1 Q9Y5S8 2/20 0.45
LTA4H P09960 2/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8539792 0.84 SMN1; SMN2 (0.40) LMNAL3MBTL1
SCHEMBL4324062 0.80 TRPM8 (0.40) ALOX5NOX1MAOBLMNAL3MBTL1
SCHEMBL4324066 0.80 TRPM8 (0.40) ALOX5NOX1MAOBLMNAL3MBTL1
SCHEMBL8155343 0.80 ALOX5 (0.46) ALOX5NOX1LTA4HMAOBNR4A1
SCHEMBL3104540 0.78 NOX1 (0.50) ALOX5NOX1LTA4HMAOBLMNA
SCHEMBL29633164 0.78 MAOB (0.50) ALOX5NOX1MAOBNR4A1NR4A2
SCHEMBL7447861 0.77 MEN1 (0.40)
SCHEMBL17890894 0.77 NOX1 (0.54) ALOX5NOX1LTA4HMAOBLMNA
SCHEMBL2791431 0.76 SMN1; SMN2 (0.39) ALOX5LMNA
SCHEMBL3989548 0.76 KMT2A (0.40) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708085-B1 Antiviral ethers of aspartate protease substrate isosteres NOVARTIS AG (CH) 2002-07-17 EP disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed